5-[(E)-2-(7-chloro-2-quinolyl)vinyl]naphthalen-2-amine | 685902-78-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 5-[(E)-2-(7-chloro-2-quinolyl)vinyl]naphthalen-2-amine
• 英文别名: 5-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]naphthalen-2-amine
• CAS: 685902-78-7
• 化学式: C₂₁H₁₅ClN₂
• 分子量: 330.816
• InChiKey: ANTUWCOLVIVCSL-WEVVVXLNSA-N

物化性质

• 沸点：
  562.1±40.0 °C(Predicted)
• 密度：
  1.332±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-[(E)-2-(7-chloro-2-quinolyl)vinyl]naphthalen-2-amine 、 alkaline earth salt of/the/ methylsulfuric acid 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-{5-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]-2-naphthyl}benzamide
  参考文献：
  名称：

  Design and Syntheses of 1,6-Naphthalene Derivatives as Selective HCMV Protease Inhibitors

  摘要：

  Through high throughput screening of various libraries, substituted styryl naphthalene 6 was identified as an HCMV protease inhibitor. Optimization of various regions of the lead molecule using parallel synthesis resulted in 1,6-substituted naphthalenes 19d-i. These compounds displayed good potency and were selective over elastase, trypsin, and chymotrypsin. The optimization approach on lead compound 6 in three different regions of the molecule using parallel solution-phase synthesis and the corresponding SAR are discussed in detail.

  DOI：

  10.1021/jm030540h
• 作为产物：
  描述：

  {5-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-naphthalen-2-yl}-carbamic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 5-[(E)-2-(7-chloro-2-quinolyl)vinyl]naphthalen-2-amine
  参考文献：
  名称：

  Design and Syntheses of 1,6-Naphthalene Derivatives as Selective HCMV Protease Inhibitors

  摘要：

  Through high throughput screening of various libraries, substituted styryl naphthalene 6 was identified as an HCMV protease inhibitor. Optimization of various regions of the lead molecule using parallel synthesis resulted in 1,6-substituted naphthalenes 19d-i. These compounds displayed good potency and were selective over elastase, trypsin, and chymotrypsin. The optimization approach on lead compound 6 in three different regions of the molecule using parallel solution-phase synthesis and the corresponding SAR are discussed in detail.

  DOI：

  10.1021/jm030540h

文献信息

• Design and Syntheses of 1,6-Naphthalene Derivatives as Selective HCMV Protease Inhibitors
  作者：Ariamala Gopalsamy、Kitae Lim、John W. Ellingboe、Boris Mitsner、Antonia Nikitenko、Janis Upeslacis、Tarek S. Mansour、Matthew W. Olson、Geraldine A. Bebernitz、Diane Grinberg、Boris Feld、Franklin J. Moy、John O'Connell

  DOI：10.1021/jm030540h

  日期：2004.4.1

  Through high throughput screening of various libraries, substituted styryl naphthalene 6 was identified as an HCMV protease inhibitor. Optimization of various regions of the lead molecule using parallel synthesis resulted in 1,6-substituted naphthalenes 19d-i. These compounds displayed good potency and were selective over elastase, trypsin, and chymotrypsin. The optimization approach on lead compound 6 in three different regions of the molecule using parallel solution-phase synthesis and the corresponding SAR are discussed in detail.